ChemSpider 2D Image | 2-{[4-Amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide | C17H15N7O5S

2-{[4-Amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide

  • Molecular FormulaC17H15N7O5S
  • Average mass429.410 Da
  • Monoisotopic mass429.085541 Da
  • ChemSpider ID68389986

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{[4-Amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[4-Amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide [ACD/IUPAC Name]
2-{[4-Amino-5-(3,5-dinitrophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-amino-5-(3,5-dinitrophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.755
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.70
ACD/KOC (pH 5.5): 528.30
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.70
ACD/KOC (pH 7.4): 528.32
Polar Surface Area: 203 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 78.5±7.0 dyne/cm
Molar Volume: 263.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement